UCSF

ZINC43437371

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 7.25 -89.35 5 2 2 44 250.43 6
Hi High (pH 8-9.5) 3.46 6.85 -32.27 4 2 1 43 249.422 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )